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(1-R,2-S,3-S,4-S,5-S,7-R,9-S,10-R)-2-ACETOXY-1-BENZOYLOXY-9-TRANS-CINNAMOYLOXY-3,4,6-TRIHYDROXY-BETA-AGAROFURAN
SpectraBase Compound ID Cr3CpKzGnYB
InChI InChI=1S/C33H38O10/c1-19(34)40-25-27(37)32(5,39)33-26(36)22(30(2,3)43-33)18-23(41-24(35)17-16-20-12-8-6-9-13-20)31(33,4)28(25)42-29(38)21-14-10-7-11-15-21/h6-17,22-23,25-28,36-37,39H,18H2,1-5H3/b17-16+/t22-,23+,25-,26-,27+,28+,31-,32+,33-/m1/s1
InChIKey FVTRWXQLJLCVKD-SYVWDLHCSA-N
Mol Weight 594.7 g/mol
Molecular Formula C33H38O10
Exact Mass 594.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RmQo2SlkY2
Name (1-R,2-S,3-S,4-S,5-S,7-R,9-S,10-R)-2-ACETOXY-1-BENZOYLOXY-9-TRANS-CINNAMOYLOXY-3,4,6-TRIHYDROXY-BETA-AGAROFURAN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38O10
InChI InChI=1S/C33H38O10/c1-19(34)40-25-27(37)32(5,39)33-26(36)22(30(2,3)43-33)18-23(41-24(35)17-16-20-12-8-6-9-13-20)31(33,4)28(25)42-29(38)21-14-10-7-11-15-21/h6-17,22-23,25-28,36-37,39H,18H2,1-5H3/b17-16+/t22-,23+,25-,26-,27+,28+,31-,32+,33-/m1/s1
InChIKey FVTRWXQLJLCVKD-SYVWDLHCSA-N
Literature Reference Author N.R.PERESTELO,I.A.JIMENEZ,H.TOKUDA,H.HAYASHI,I.L.BAZZOCCHI
Literature Reference Citation J.NAT.PROD.,73,127(2010)
Literature Reference DOI 10.1021/np900476a
Molecular Weight 594.659 g/mol
Sample ID 34398
Solvent CDCl3